iterations/neb0_image06_iter9_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162148081479E+04 0.16215E+04 -0.42287E+04 306 0.697E+02
DAV: 2 0.301618975971E+03 -0.13199E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.357870156090E+03 -0.65949E+03 -0.65496E+03 364 0.123E+02
DAV: 4 -0.433285533653E+03 -0.75415E+02 -0.75140E+02 308 0.529E+01
DAV: 5 -0.434978322749E+03 -0.16928E+01 -0.16903E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388910623028E+03 0.46068E+02 -0.15068E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385418759858E+03 0.34919E+01 -0.12644E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.383992739654E+03 0.14260E+01 -0.27198E+00 332 0.391E+00 0.431E+00
DAV: 9 -0.383426734336E+03 0.56601E+00 -0.66779E-01 332 0.199E+00 0.111E+00
DAV: 10 -0.383380155841E+03 0.46578E-01 -0.40404E-01 332 0.102E+00 0.771E-01
DAV: 11 -0.383356167656E+03 0.23988E-01 -0.29280E-02 324 0.471E-01 0.599E-01
DAV: 12 -0.383333218280E+03 0.22949E-01 -0.98210E-02 356 0.667E-01 0.683E-01
DAV: 13 -0.383329226387E+03 0.39919E-02 -0.79714E-02 340 0.386E-01 0.575E-01
DAV: 14 -0.383324170462E+03 0.50559E-02 -0.40958E-02 300 0.324E-01 0.332E-01
DAV: 15 -0.383327142641E+03 -0.29722E-02 -0.75462E-03 316 0.219E-01 0.287E-01
DAV: 16 -0.383337546391E+03 -0.10404E-01 -0.21068E-02 316 0.272E-01 0.222E-01
DAV: 17 -0.383344188043E+03 -0.66417E-02 -0.33230E-03 316 0.165E-01 0.137E-01
DAV: 18 -0.383350476342E+03 -0.62883E-02 -0.98468E-04 292 0.839E-02 0.976E-02
DAV: 19 -0.383363515689E+03 -0.13039E-01 -0.26387E-03 292 0.114E-01 0.800E-02
DAV: 20 -0.383367725807E+03 -0.42101E-02 -0.50327E-04 332 0.630E-02 0.633E-02
DAV: 21 -0.383371358657E+03 -0.36328E-02 -0.32710E-04 324 0.534E-02 0.413E-02
DAV: 22 -0.383376673936E+03 -0.53153E-02 -0.32994E-04 316 0.391E-02 0.312E-02
DAV: 23 -0.383379057214E+03 -0.23833E-02 -0.88292E-05 292 0.196E-02 0.209E-02
DAV: 24 -0.383381205179E+03 -0.21480E-02 -0.14433E-04 308 0.279E-02 0.120E-02
DAV: 25 -0.383381911019E+03 -0.70584E-03 -0.28221E-05 268 0.127E-02 0.681E-03
DAV: 26 -0.383382361405E+03 -0.45039E-03 -0.19576E-05 244 0.896E-03 0.490E-03
DAV: 27 -0.383382625969E+03 -0.26456E-03 -0.10115E-05 220 0.742E-03 0.324E-03
DAV: 28 -0.383382709287E+03 -0.83319E-04 -0.46655E-06 236 0.481E-03 0.382E-03
DAV: 29 -0.383382774489E+03 -0.65202E-04 -0.24742E-06 212 0.455E-03 0.182E-03
DAV: 30 -0.383382813846E+03 -0.39357E-04 -0.36472E-06 220 0.478E-03 0.267E-03
DAV: 31 -0.383382834595E+03 -0.20749E-04 -0.10026E-06 212 0.253E-03 0.198E-03
DAV: 32 -0.383382842708E+03 -0.81137E-05 -0.54235E-07 228 0.174E-03
1 F= -.38338284E+03 E0= -.38339594E+03 d E =0.392957E-01